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86869-94-5 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-(1-methylethyl)-7-phenyl-
CAS No: 86869-94-5 Catalog No: AG004ICS MDL No:
Product Description
Catalog Number:
AG004ICS
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-(1-methylethyl)-7-phenyl-
CAS Number:
86869-94-5
Molecular Formula:
C13H13N5
Molecular Weight:
239.2758
IUPAC Name:
7-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C13H13N5/c1-9(2)12-16-17-13-15-11(8-14-18(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
IMTFABUOPLELBG-UHFFFAOYSA-N
SMILES:
CC(c1nnc2n1ncc(n2)c1ccccc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.282g/mol
Monoisotopic Mass:
239.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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